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Sigma-Aldrich

Methyl octanoate

99%

Synonym(s):

Caprylic acid methyl ester, Methyl caprylate

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About This Item

Linear Formula:
CH3(CH2)6COOCH3
CAS Number:
111-11-5
Molecular Weight:
158.24
Beilstein:
1752270
EC Number:
203-835-0
MDL number:
MFCD00009551
UNSPSC Code:
12352100
PubChem Substance ID:
24855765
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.417 (lit.)

bp

194-195 °C (lit.)

solubility

water: insoluble

density

0.877 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCC(=O)OC

InChI

1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

InChI key

JGHZJRVDZXSNKQ-UHFFFAOYSA-N

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General description

Methyl octanoate is a saturated organic compound that belongs to the class of fatty acid methyl ester (FAMEs). It can be prepared by the esterification of octanoic acid with methanol in the presence of an acid catalyst.

Application

Methyl octanoate can be used as:
  • A reactant to prepare C7 and C8 hydrocarbons by catalytic decarboxylation/decarbonylation reactions in the presence of Pt/Al2O3 catalyst.
  • A component of biodiesel −bioethanol surrogate fuel model to study its kinetics of oxidation.

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Experimental vapor pressures (from 1 Pa to 100 kPa) of six saturated Fatty Acid Methyl Esters (FAMEs): Methyl hexanoate, methyl octanoate, methyl decanoate, methyl dodecanoate, methyl tetradecanoate and methyl hexadecanoate
Sahraoui L, et al.
The Journal of Chemical Thermodynamics, 102, 270-275 (2016)
Catalytic deoxygenation of methyl-octanoate and methyl-stearate on Pt/Al 2 O 3
Do Phuong T, et al.
Catalysis Letters, 130(1), 9-18 (2009)
Esterification of octanoic acid using SiO2 doped sulfated aluminum-based solid acid as catalyst
Duan Y, et al.
Catalysis Communications, 82, 32-35 (2016)
Jessica L Teo et al.
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T J Gianfagna et al.
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